SCHEMBL7517068

SCHEMBL7517068

N=C(N)Nc1cccc(C(=O)Nc2ccc(CC(NC(=O)N3C=CC=CC3)C(=O)O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.48
ITGB3 P05106 10/20 0.48
ITGA2B P08514 10/20 0.48
ITGAV P06756 9/20 0.48
ITGB5 P18084 7/20 0.48
ITGA4 P13612 8/20 0.39
MMP9 P14780 1/20 0.38
ITGA2 P17301 1/20 0.37
ITGB7 P26010 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7517076 1.00 ITGB1 (0.48) ITGB1ITGB3ITGA2BITGAVITGB5
SCHEMBL7517094 0.88 ITGB3 (0.47) ITGB1ITGB3ITGA2BITGAVITGB5
SCHEMBL7516103 0.82 ITGB3 (0.51) ITGB1ITGB3ITGA2BITGAVITGB5
SCHEMBL7516114 0.82 ITGB3 (0.51) ITGB1ITGB3ITGA2BITGAVITGB5
SCHEMBL7378185 0.82 ITGB3 (0.57) ITGB1ITGB3ITGA2BITGAVITGB5
SCHEMBL7378190 0.82 ITGB3 (0.57) ITGB1ITGB3ITGA2BITGAVITGB5
SCHEMBL7381188 0.81 ITGB3 (0.51) ITGB1ITGB3ITGA2BITGAVITGB5
SCHEMBL7378160 0.81 ITGB3 (0.51) ITGB1ITGB3ITGA2BITGAVITGB5
SCHEMBL7377326 0.81 ITGB1 (0.70) ITGB1ITGB3ITGA2BITGAVITGB5
SCHEMBL7377320 0.81 ITGB1 (0.70) ITGB1ITGB3ITGA2BITGAVITGB5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP claimed